Target Prediction App

Application for target prediction and calcul of similarities for small molecules.

Getting Started

These instructions will get you a copy of the project up and running on your local machine for development and testing purposes.

Clone the project on your local machine

$ git clone https://github.com/albags/ProjectTargetPredictionApp.git

$ cd ProjectTargetPredictionApp/

Install database, remember to create the database first in your local mysql $ mysql -u username -p database_name < project_fda.sql

Remember to change the user and the password into the DBConnect.py file.

Run the application

$ python run.py

Go to your browser into 0.0.0.0:5000

Content	Explanation
Target Prediction	Based in ChEMBL database bioactiviy
Similarity 2D	Using Fingerprint
Similarity 3D	Using Usrcat and Electroshap methods
Molecule information

ProjectTargetPredictionApp is released under the MIT License.